Androgen Receptor Binding Category Prediction with Deep Neural Networks and Structure-, Ligand-, and Statistically Based Features

by Alfonso T. García-Sosa
Published 2021-02-01

Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive Subst...

by Alfonso T. García-Sosa, Uko Maran
Published 2021-06-01

Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category

by Abraham Yosipof, Rita C. Guedes, Alfonso T. García-Sosa
Published 2018-05-01

Peptide-Ligand Binding Modeling of siRNA with Cell-Penetrating Peptides

by Alfonso T. García-Sosa, Indrek Tulp, Kent Langel, Ülo Langel
Published 2014-01-01

Editorial: Multi-Target-Directed Ligands (MTDL) as Challenging Research Tools in Drug Discovery: From Design to Pharmacological Evaluation

by Stefano Alcaro, Maria Laura Bolognesi, Alfonso T. García-Sosa, Simona Rapposelli
Published 2019-02-01

Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets

by Sanja Glisic, Milan Sencanski, Vladimir Perovic, Strahinja Stevanovic, Alfonso T. García-Sosa
Published 2016-05-01

Cobalt Complex with Thiazole-Based Ligand as New Pseudomonas aeruginosa Quorum Quencher, Biofilm Inhibitor and Virulence Attenuator

by Anabela Borges, Manuel Simões, Tamara R. Todorović, Nenad R. Filipović, Alfonso T. García-Sosa
Published 2018-06-01

Molecular Dynamics Simulations of the Interactions between Glial Cell Line-Derived Neurotrophic Factor Family Receptor GFRα1 and Small-Molecule Ligands

by Larisa Ivanova, Jaana Tammiku-Taul, Alfonso T. García-Sosa, Yulia Sidorova, Mart Saarma, Mati Karelson
Published 2018-09-01

Exploring EZH2-Proteasome Dual-Targeting Drug Discovery through a Computational Strategy to Fight Multiple Myeloma

by Filipe G. A. Estrada, Silvia Miccoli, Natália Aniceto, Alfonso T. García-Sosa, Rita C. Guedes
Published 2021-09-01

Recovering Actives in Multi-Antitarget and Target Design of Analogs of the Myosin II Inhibitor Blebbistatin

by Bart I. Roman, Bart I. Roman, Rita C. Guedes, Christian V. Stevens, Christian V. Stevens, Alfonso T. García-Sosa
Published 2018-05-01

The Novel Serine/Threonine Protein Kinase LmjF.22.0810 from <i>Leishmania major</i> may be Involved in the Resistance to Drugs such as Paromomycin

by Andrés Vacas, Celia Fernández-Rubio, Miriam Algarabel, José Peña-Guerrero, Esther Larrea, Fabio Rocha Formiga, Alfonso T. García-Sosa, Paul A. Nguewa
Published 2019-11-01

Synthesis, In Silico, and In Vitro Evaluation of Anti-Leishmanial Activity of Oxadiazoles and Indolizine Containing Compounds Flagged against Anti-Targets

by Strahinja Stevanovic, Milan Sencanski, Mathieu Danel, Christophe Menendez, Roumaissa Belguedj, Abdelmalek Bouraiou, Katarina Nikolic, Sandrine Cojean, Philippe M. Loiseau, Sanja Glisic, Michel Baltas, Alfonso T. García-Sosa
Published 2019-04-01

Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones

by Vera M. S. Isca, Milan Sencanski, Nenad Filipovic, Daniel J. V. A. Dos Santos, Ana Čipak Gašparović, Lucília Saraíva, Carlos A. M. Afonso, Patrícia Rijo, Alfonso T. García-Sosa
Published 2020-05-01

Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies

by Hana Elshaflu, Tamara R. Todorović, Milan Nikolić, Aleksandar Lolić, Aleksandar Višnjevac, Stefanie Hagenow, José M. Padrón, Alfonso T. García-Sosa, Ivana S. Djordjević, Sonja Grubišić, Holger Stark, Nenad R. Filipović
Published 2018-07-01

Natural Variation in Arabidopsis Cvi-0 Accession Reveals an Important Role of MPK12 in Guard Cell CO2 Signaling.

by Liina Jakobson, Lauri Vaahtera, Kadri Tõldsepp, Maris Nuhkat, Cun Wang, Yuh-Shuh Wang, Hanna Hõrak, Ervin Valk, Priit Pechter, Yana Sindarovska, Jing Tang, Chuanlei Xiao, Yang Xu, Ulvi Gerst Talas, Alfonso T García-Sosa, Saijaliisa Kangasjärvi, Uko Maran, Maido Remm, M Rob G Roelfsema, Honghong Hu, Jaakko Kangasjärvi, Mart Loog, Julian I Schroeder, Hannes Kollist, Mikael Brosché
Published 2016-12-01

Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–6

by Jean Jacques Vanden Eynde, Arduino A. Mangoni, Jarkko Rautio, Jérôme Leprince, Yasu-Taka Azuma, Alfonso T. García-Sosa, Christopher Hulme, Josef Jampilek, Rafik Karaman, Wei Li, Paula A. C. Gomes, Dimitra Hadjipavlou-Litina, Raffaele Capasso, Athina Geronikaki, Laura Cerchia, Jean-Marc Sabatier, Rino Ragno, Tiziano Tuccinardi, Andrea Trabocchi, Jean-Yves Winum, F. Javier Luque, Katalin Prokai-Tatrai, Mariana Spetea, Michael Gütschow, Ivan Kosalec, Catherine Guillou, M. Helena Vasconcelos, George Kokotos, Giulio Rastelli, Maria Emília de Sousa, Clementina Manera, Sandra Gemma, Stefano Mangani, Carlo Siciliano, Stefania Galdiero, Hong Liu, Peter J. H. Scott, Cristóbal de los Ríos, Luigi A. Agrofoglio, Simona Collina, Rita C. Guedes, Diego Muñoz-Torrero
Published 2019-12-01

Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–7

by Michael Gütschow, Jean Jacques Vanden Eynde, Josef Jampilek, CongBao Kang, Arduino A. Mangoni, Paola Fossa, Rafik Karaman, Andrea Trabocchi, Peter J. H. Scott, Jóhannes Reynisson, Simona Rapposelli, Stefania Galdiero, Jean-Yves Winum, Chiara Brullo, Katalin Prokai-Tatrai, Arun K. Sharma, Matthieu Schapira, Yasu-Taka Azuma, Laura Cerchia, Mariana Spetea, Giangiacomo Torri, Simona Collina, Athina Geronikaki, Alfonso T. García-Sosa, M. Helena Vasconcelos, Maria Emília Sousa, Ivan Kosalec, Tiziano Tuccinardi, Iola F. Duarte, Jorge A. R. Salvador, Massimo Bertinaria, Maurizio Pellecchia, Jussara Amato, Giulio Rastelli, Paula A. C. Gomes, Rita C. Guedes, Jean-Marc Sabatier, Ana Estévez-Braun, Bruno Pagano, Stefano Mangani, Rino Ragno, George Kokotos, Margherita Brindisi, Florenci V. González, Fernanda Borges, Mariarosaria Miloso, Jarkko Rautio, Diego Muñoz-Torrero
Published 2020-06-01

Impacts of biomedical hashtag-based Twitter campaign: #DHPSP utilization for promotion of open innovation in digital health, patient safety, and personalized medicine

by Maria Kletecka-Pulker, Himel Mondal, Dongdong Wang, R. Gonzalo Parra, Abdulkadir Yusif Maigoro, Soojin Lee, Tushar Garg, Eoghan J. Mulholland, Hari Prasad Devkota, Bikramjit Konwar, Sourav S. Patnaik, Ronan Lordan, Faisal A. Nawaz, Christos Tsagkaris, Rehab A. Rayan, Anna Maria Louka, Ronita De, Pravin Badhe, Eva Schaden, Harald Willschke, Mathias Maleczek, Hemanth Kumar Boyina, Garba M. Khalid, Md. Sahab Uddin, Sanusi, Johra Khan, Joy I. Odimegwu, Andy Wai Kan Yeung, Faizan Akram, Chandragiri Siva Sai, Sherri Bucher, Shravan Kumar Paswan, Rajeev K. Singla, Bairong Shen, Sara Di Lonardo, Anela Tosevska, Jesus Simal-Gandara, Manja Zec, Elena González-Burgos, Marija Habijan, Maurizio Battino, Francesca Giampieri, Aleksei Tikhonov, Danila Cianciosi, Tamara Y. Forbes-Hernandez, José L. Quiles, Bruno Mezzetti, Smith B. Babiaka, Mosa E.O. Ahmed, Paula Piccard, Mágali S. Urquiza, Jennifer R. Depew, Fabien Schultz, Daniel Sur, Sandeep R. Pai, Mihnea-Alexandru Găman, Merisa Cenanovic, Nikolay T. Tzvetkov, Surya Kant Tripathi, Kiran R. Kharat, Alfonso T. Garcia-Sosa, Simon Sieber, Atanas G. Atanasov
Published 2021-01-01